1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H15N3O4 — CID 43172479

IUPAC1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C1CCC(C(=O)NC2(C(=O)O)CCCC2)=NN1
InChIInChI=1S/C11H15N3O4/c15-8-4-3-7(13-14-8)9(16)12-11(10(17)18)5-1-2-6-11/h1-6H2,(H,12,16)(H,14,15)(H,17,18)
InChIKeyKCVLFJDYQSZIMR-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.23
Rot. Bonds3

About 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43172479) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43172479
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C1CCC(C(=O)NC2(C(=O)O)CCCC2)=NN1
InChIInChI=1S/C11H15N3O4/c15-8-4-3-7(13-14-8)9(16)12-11(10(17)18)5-1-2-6-11/h1-6H2,(H,12,16)(H,14,15)(H,17,18)
InChIKeyKCVLFJDYQSZIMR-UHFFFAOYSA-N
XLogP-0.23
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43169409
N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103754236
2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 61261887
1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450800
N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115665075
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176410
1-[(5-oxopyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 83191991
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
1-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538832

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43172479) is 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C1CCC(C(=O)NC2(C(=O)O)CCCC2)=NN1.
What is the InChIKey of 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KCVLFJDYQSZIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-8-4-3-7(13-14-8)9(16)12-11(10(17)18)5-1-2-6-11/h1-6H2,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43172479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).